SCHEMBL9757459

SCHEMBL9757459

O=C(Nc1nnn[nH]1)c1cc2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc2s1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
CYSLTR1 Q9Y271 4/20 0.47
GPBAR1 Q8TDU6 2/20 0.47
CYSLTR2 Q9NS75 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9766867 0.94 CYSLTR1 (0.45) CYSLTR1
SCHEMBL9760846 0.85 ALOX5 (0.49) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL9757258 0.82 CYSLTR1 (0.60) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL9757208 0.82 CYSLTR1 (0.61) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL9757426 0.79 PDE10A (0.45) ALOX5CYSLTR1
SCHEMBL8802120 0.76 PDE10A (0.55) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL8801668 0.75 CYSLTR1 (0.62) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL9756934 0.75 CYSLTR1 (0.60) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL7008285 0.75 CYSLTR1 (0.60) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9757134 0.74 CYSLTR1 (0.58) ALOX5CYSLTR1GPBAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO disclosed
US-5041453-A Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed